Information card for entry 4306295

Structure parameters

• Common name: Potassium 4-F-phenoxide dioxane
• Formula: C26 H28 F3 K3 O7
• Calculated formula: C26 H28 F3 K3 O7
• SMILES: [K+].Fc1ccc([O-])cc1.O1CCOCC1
• Title of publication: High-Connectivity Networks and Hybrid Inorganic Rod Materials Built from Potassium and Rubidium p-Halide-Substituted Aryloxides
• Authors of publication: J. Jacob Morris; Bruce C. Noll; Kenneth W. Henderson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9583 - 9591
• a: 13.1101 ± 0.0005 Å
• b: 19.5138 ± 0.0007 Å
• c: 11.7626 ± 0.0005 Å
• α: 90°
• β: 105.4 ± 0.002°
• γ: 90°
• Cell volume: 2901.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No